N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide

C16H15ClN2O2 — CID 7918365

IUPACN'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C16H15ClN2O2/c1-10-6-7-13(8-11(10)2)16(21)19-18-15(20)12-4-3-5-14(17)9-12/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyUZDJGHMIUXNAJQ-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.03
Rot. Bonds2

About N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide

N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide (PubChem CID 7918365) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
PubChem CID7918365
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C16H15ClN2O2/c1-10-6-7-13(8-11(10)2)16(21)19-18-15(20)12-4-3-5-14(17)9-12/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyUZDJGHMIUXNAJQ-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chlorobenzoyl)-2,4-dimethylbenzohydrazide
CID 7601300
ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
N-[[3-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-3,4-dimethylbenzamide
CID 4578829
3-chloro-N'-[(2R)-2-chloropropanoyl]benzohydrazide
CID 25323385
N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
CID 27604628
N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
CID 78784923
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N'-tert-butyl-3-chlorobenzohydrazide
CID 15617772
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4940345
3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9475643
N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9328814
3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide
CID 27605122

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide (CID 7918365) is N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1C.
What is the InChIKey of N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide?
The InChIKey is UZDJGHMIUXNAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-6-7-13(8-11(10)2)16(21)19-18-15(20)12-4-3-5-14(17)9-12/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide?
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide has a molecular weight of 302.76 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide is sourced from PubChem (CID 7918365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).